N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H10N4O5S — CID 86816594

IUPACN-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1noc(-c2ccco2)n1
InChIInChI=1S/C11H10N4O5S/c1-6-9(7(2)19-13-6)21(16,17)15-11-12-10(20-14-11)8-4-3-5-18-8/h3-5H,1-2H3,(H,14,15)
InChIKeyXOGWTEQIQOIBMD-UHFFFAOYSA-N
MW310.29 g/mol
LogP1.74
Rot. Bonds4

About N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 86816594) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID86816594
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC NameN-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1noc(-c2ccco2)n1
InChIInChI=1S/C11H10N4O5S/c1-6-9(7(2)19-13-6)21(16,17)15-11-12-10(20-14-11)8-4-3-5-18-8/h3-5H,1-2H3,(H,14,15)
InChIKeyXOGWTEQIQOIBMD-UHFFFAOYSA-N
XLogP1.74
TPSA124.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 86816594) is N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1noc(-c2ccco2)n1.
What is the InChIKey of N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XOGWTEQIQOIBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c1-6-9(7(2)19-13-6)21(16,17)15-11-12-10(20-14-11)8-4-3-5-18-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 310.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 86816594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).